N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)ethanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCCC3

InChI

InChI=1S/C24H32N2O3/c1-19-7-11-22(12-8-19)29-18-24(27)25-17-23(26-15-5-3-4-6-16-26)20-9-13-21(28-2)14-10-20/h7-14,23H,3-6,15-18H2,1-2H3,(H,25,27)/p+1/t23-/m0/s1